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Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanics.
Andrei M. Tokmachev
Andreì L. Tchougréeff
Published in:
J. Comput. Chem. (2005)
Keyphrases
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parameter values
single parameter
sensitivity analysis
maximum likelihood estimation
transfer function
measured data
maximum likelihood
input parameters
database
real time
website
expectation maximization
parametric models
fine tuning
target function